Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK560713
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-2-32-20-11-9-18(10-12-20)22-21(23(29)19-7-4-3-5-8-19)24(30)25(31)28(22)15-6-14-27-16-13-26-17-27/h3-5,7-13,16-17,22,29H,2,6,14-15H2,1H3/b23-21+InChIKey
OCWZYZHRFWRRSI-XTQSDGFTSA-NSynonyms
385387-40-6(4E)5(4ETHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
385387406
5(4ETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCOc1ccc(cc1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC25H25N3O4c12322011918(101220)2221(23(29)197435819)24(30)25(31)28(22)15614271613261727h3571316172229H261415H21H3b2321+
MFCD18243611
ZINC000102498319
ZINC000102498327
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